Cerivastatin sodium supplier | CasNO.143201-11-0

Name
Cerivastatin sodium
EINECS
CAS No. 143201-11-0
Density
Solubility
Melting Point 197-199 °C
Formula C₂₆H₃₃FNNaO₅
Boiling Point 646.3 °C at 760 mmHg
Molecular Weight 481.54
Flash Point 344.7 °C
Transport Information
Appearance Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Heptenoicacid,7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-,monosodium salt, (3R,5S,6E)- (9CI);6-Heptenoic acid,7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-,monosodium salt, [S-[R*,S*-(E)]]-;BAY-w 6228;Baycol;Cerivastatin sodium;Lipobay;Rivastatin;
PSA 99.88000
LogP 4.88070

Cerivastatin sodium Specification

The Cerivastatin sodium, with the CAS registry number 143201-11-0, is also known as Sodium (3R,5S,6E)-7-[4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridinyl]-3,5-dihydroxy-6-heptenoate. It belongs to the product categories of Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₂₆H₃₃FNNaO₅ and molecular weight is 459.55. What's more, its IUPAC name is called Sodium
(E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoate. It can be used as a competitive inhibitor of HMG-CoA reductase.

Physical properties about Cerivastatin sodium are: (1)ACD/LogP: 3.705; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 0.60; (5)ACD/BCF (pH 5.5): 7.80; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 50.00; (8)ACD/KOC (pH 7.4): 1.94; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 77.88 Å²; (13)Flash Point: 344.7 °C; (14)Enthalpy of Vaporization: 100.18 kJ/mol; (15)Boiling Point: 646.3 °C at 760 mmHg; (16)Vapour Pressure: 1.37E-17 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[O-]C(=O)C[C@H](O)C[C@H](O)/C=C/c1c(nc(c(c1c2ccc(F)cc2)COC)C(C)C)C(C)C
(2) InChI: InChI=1S/C26H34FNO5.Na/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4;/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32);/q;+1/p-1/b11-10+;/t19-,20-;/m1./s1
(3) InChIKey: GPUADMRJQVPIAS-QCVDVZFFSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
dog	LDLo	oral	32mg/kg (32mg/kg)	Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 42, Pg. 402, 2000.
mouse	LD50	intravenous	221mg/kg (221mg/kg)	Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 42, Pg. 402, 2000.
mouse	LD50	oral	416mg/kg (416mg/kg)	Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 42, Pg. 402, 2000.
rat	LD50	oral	416mg/kg (416mg/kg)	Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 42, Pg. 402, 2000.

Product Name

Cerivastatin sodium

Cerivastatin sodium Specification

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